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分子動力学法によるUO$$_{2}$$の熱伝導率

Thermal conductivity of UO$$_{2}$$ by molecular dynamics simulation

内田 哲平

Uchida, Teppei

本研究では分子動力学法を用いてMA含有MOX燃料の物性値を評価するための第一段階として、Schottky欠陥を含むUO$$_{2}$$の熱膨張率及び熱伝導率の評価を行った。熱伝導率は低温側でSchottky欠陥の影響を受け、完全結晶の熱伝導率に比べて低下した。これは、欠陥構造がフォノン振動を散乱するために熱伝導率が低下するものと考えられる。

In this study, thermal expansion and thermal conductivity of UO$$_{2}$$ containing Schottky defects were evaluated as a first step of evaluating thermal properties of MOX fuel containing MA by molecular dynamics simulation. Compared to thermal conductivity of perfect crystal UO$$_{2}$$, that of UO$$_{2}$$ containing Schottky defects were lower. It is considered that defect structures scattered phonon vibrations and thermal conductivity decreased.

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